N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H15N3O3S — CID 691759

IUPACN-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H15N3O3S/c1-2-11-5-7-12(8-6-11)17-14(20)10-23-16-19-18-15(22-16)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyWBGBLPOUMMOMFV-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.62
Rot. Bonds6

About N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 691759) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID691759
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H15N3O3S/c1-2-11-5-7-12(8-6-11)17-14(20)10-23-16-19-18-15(22-16)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyWBGBLPOUMMOMFV-UHFFFAOYSA-N
XLogP3.62
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 661009
N-(2-chlorophenyl)-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 851244
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 975318
Methyl 3-[({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
CID 1160631
N-(2-Ethoxy-phenyl)-2-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 565713
2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
CID 570879
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 1038405
N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-2,2-diphenylacetamide
CID 1038406
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 1073872
N-{3-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-methoxybenzamide
CID 1299744
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2200770
4-[4-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobutanoic acid
CID 738066

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 691759) is N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WBGBLPOUMMOMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-11-5-7-12(8-6-11)17-14(20)10-23-16-19-18-15(22-16)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,17,20).
What are the key properties of N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 691759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).